SCHEMBL2888864

SCHEMBL2888864

Cc1c(N)cccc1Nc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
SLC6A4 P31645 3/20 0.43
IKBKB O14920 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2884682 0.84 HTR2A (0.42) HTR2ASLC6A4IKBKBALDH1A1MAPT
SCHEMBL5903250 0.82 ALDH1A1 (0.51) HTR2ASLC6A4IKBKBALDH1A1MAPT
SCHEMBL2893274 0.79 PTGDR2 (0.47) HTR2ASLC6A4ALDH1A1MAPTMEN1
SCHEMBL641390 0.75 MAPT (0.63) HTR2ASLC6A4IKBKBALDH1A1MAPT
SCHEMBL29957616 0.75 MAPT (0.63) HTR2ASLC6A4IKBKBALDH1A1MAPT
SCHEMBL5242624 0.74 CYP3A4 (0.62) HTR2AALDH1A1MAPTMEN1KMT2A
SCHEMBL2892491 0.74 HTR2A (0.58) HTR2ASLC6A4IKBKBALDH1A1MAPT
SCHEMBL18319286 0.74 HTR2A (0.50) HTR2ASLC6A4ALDH1A1MAPTMEN1
SCHEMBL30490051 0.74 HTR2A (0.50) HTR2ASLC6A4ALDH1A1MAPTMEN1
SCHEMBL2888466 0.72 HTR2A (0.54) HTR2ASLC6A4IKBKBALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 HTR2A 1938/4885SLC6A4 1489/4885IKBKB 1382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.